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@Tieqiong
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@sbillinge please check, thanks

Workflows won't work for now, but the CI test should work.
Further modifications will be made on doc (mainly examples)

@sbillinge
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some of these things need revisiting, but I suggest to merge this (I will) and we can do some polishing later.

@sbillinge sbillinge merged commit fdceb92 into diffpy:cookie Jan 11, 2025
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2 participants